2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane

C10H18N2O2S — CID 128870964

IUPAC2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane
SMILESCC1(S(=O)(=O)N2CC3CCC2CN3)CC1
InChIInChI=1S/C10H18N2O2S/c1-10(4-5-10)15(13,14)12-7-8-2-3-9(12)6-11-8/h8-9,11H,2-7H2,1H3
InChIKeyCVMGIXNXSAMHHP-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.30
Rot. Bonds2

About 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane

2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane (PubChem CID 128870964) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane
PubChem CID128870964
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane
SMILESCC1(S(=O)(=O)N2CC3CCC2CN3)CC1
InChIInChI=1S/C10H18N2O2S/c1-10(4-5-10)15(13,14)12-7-8-2-3-9(12)6-11-8/h8-9,11H,2-7H2,1H3
InChIKeyCVMGIXNXSAMHHP-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
CID 131676431
(1R,4S)-2-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
CID 98071326
2-methylsulfinyl-2,5-diazabicyclo[2.2.2]octane
CID 130664241
2-hydroxy-2,5-diazabicyclo[2.2.2]octane
CID 170269413
2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine
CID 128580030
1-(2,5-diazabicyclo[2.2.2]octan-2-yl)-3-methylbutan-2-one
CID 134237193
1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine
CID 126752890
cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 175882089
1-methylcyclopropane-1-sulfonyl fluoride
CID 162341526
2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane
CID 127000094
2-ethyl-2,6-diazabicyclo[3.2.2]nonane
CID 146602390
1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 136546247

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane (CID 128870964) is 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane is CC1(S(=O)(=O)N2CC3CCC2CN3)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is CVMGIXNXSAMHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(4-5-10)15(13,14)12-7-8-2-3-9(12)6-11-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane?
2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 230.33 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 128870964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).